ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate

C11H20N4O4S — CID 61107551

IUPACethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H20N4O4S/c1-4-19-10(16)7-15(6-8(2)3)20(17,18)9-5-13-14-11(9)12/h5,8H,4,6-7H2,1-3H3,(H3,12,13,14)
InChIKeyDJULCZOYODGUDJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.20
Rot. Bonds7

About ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate

ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate (PubChem CID 61107551) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
PubChem CID61107551
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Nameethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H20N4O4S/c1-4-19-10(16)7-15(6-8(2)3)20(17,18)9-5-13-14-11(9)12/h5,8H,4,6-7H2,1-3H3,(H3,12,13,14)
InChIKeyDJULCZOYODGUDJ-UHFFFAOYSA-N
XLogP0.20
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107552
5-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 61105335
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 54901433
ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55663353
methyl 3-[2-methylpropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoate
CID 60959588
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
CID 112685988
5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide
CID 61110324
5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60808130
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225
ethyl 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 80578582
5-amino-N-propan-2-yl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60809109

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate (CID 61107551) is ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate?
The InChIKey is DJULCZOYODGUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-4-19-10(16)7-15(6-8(2)3)20(17,18)9-5-13-14-11(9)12/h5,8H,4,6-7H2,1-3H3,(H3,12,13,14).
What are the key properties of ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate?
ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate has a molecular weight of 304.37 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 61107551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).